N'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen

C7H22N6 — CID 145331086

IUPACN'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen
SMILESCN1CCN/C(=C(N)\N=C/N)C1.N.[H][H].[H][H]
InChIInChI=1S/C7H15N5.H3N.2H2/c1-12-3-2-10-6(4-12)7(9)11-5-8;;;/h5,10H,2-4,9H2,1H3,(H2,8,11);1H3;2*1H/b7-6-;;;
InChIKeyJJPVWSIVJOTILT-YYFHNNNUSA-N
MW190.30 g/mol
LogP-0.71
Rot. Bonds1

About N'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen

N'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen (PubChem CID 145331086) has the molecular formula C7H22N6 and a molecular weight of 190.30 g/mol. Its IUPAC name is N'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen.

Molecular Properties

Compound NameN'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen
PubChem CID145331086
Molecular FormulaC7H22N6
Molecular Weight190.30 g/mol
Exact Mass190.19
IUPAC NameN'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen
SMILESCN1CCN/C(=C(N)\N=C/N)C1.N.[H][H].[H][H]
InChIInChI=1S/C7H15N5.H3N.2H2/c1-12-3-2-10-6(4-12)7(9)11-5-8;;;/h5,10H,2-4,9H2,1H3,(H2,8,11);1H3;2*1H/b7-6-;;;
InChIKeyJJPVWSIVJOTILT-YYFHNNNUSA-N
XLogP-0.71
TPSA114.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.30
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen?
The IUPAC name of N'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen (CID 145331086) is N'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen.
What is the SMILES notation for N'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen?
The canonical SMILES for N'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen is CN1CCN/C(=C(N)\N=C/N)C1.N.[H][H].[H][H].
What is the InChIKey of N'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen?
The InChIKey is JJPVWSIVJOTILT-YYFHNNNUSA-N. The full InChI is InChI=1S/C7H15N5.H3N.2H2/c1-12-3-2-10-6(4-12)7(9)11-5-8;;;/h5,10H,2-4,9H2,1H3,(H2,8,11);1H3;2*1H/b7-6-;;;.
What are the key properties of N'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen?
N'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen has a molecular weight of 190.30 g/mol, XLogP of -0.71, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-amino-(4-methylpiperazin-2-ylidene)methyl]methanimidamide;azane;molecular hydrogen is sourced from PubChem (CID 145331086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).